General Information of the Compound
| Compound ID |
CP0866285
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| Compound Name |
methyl 7-((1R,2S,3R,5R)-5-chloro-3-hydroxy-2-(4-(1-hydroxy-2,2-dimethylpropyl)phenyl)cyclopentyl)heptanoate
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| Structure |
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| Formula |
C24H37ClO4
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| Molecular Weight |
425.009
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| Canonical SMILES |
COC(=O)CCCCCC[C@@H]1[C@@H](c2ccc(C(O)C(C)(C)C)cc2)[C@H](O)C[C@H]1Cl
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| InChI |
InChI=1S/C24H37ClO4/c1-24(2,3)23(28)17-13-11-16(12-14-17)22-18(19(25)15-20(22)26)9-7-5-6-8-10-21(27)29-4/h11-14,18-20,22-23,26,28H,5-10,15H2,1-4H3/t18-,19+,20+,22+,23?/m0/s1
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| InChIKey |
BEWXXKHHJWEQTD-ALMFXJGDSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00948, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT01534, Prostaglandin E2 receptor EP4 subtype